HRID46402

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COCN(c1ccncn1)S(=O)(=O)c1cc(Cl)c(F)cc1F

HCID59436511

未命名化合物

结构：O=[N+]([O-])c1nn(C2CCCCO2)cc1-c1cc(Cl)ccc1O

HCID59436630

4-Chloro-2-[3-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]phenol

C14H14ClN3O4

PRODUCTS

生成物

结构：COCN(c1ccncn1)S(=O)(=O)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2cn(C3CCCCO3)nc2[N+](=O)[O-])cc1F

HCID59436510

未命名化合物

PROCEDURE

实验过程

The title compound was prepared using the method described in Preparation 872 using 5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyrimidin-4-ylbenzenesulfonamide (Preparation 895) and 4-chloro-2-[3-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]phenol (Preparation 894). The product was purified on silica gel (hexane to 50% of 60% ethyl acetate gradient) to provide 82 mg of a colorless oil.

WORKUP

后处理

customThe product was purified on silica gel (hexane to 50% of 60% ethyl acetate gradient)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ceb2c0f20ea4e8b8237bc88163b7ee9
来源数据集: uspto-grants-2013_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08541588B2
来源说明: uspto-grants-2013_09

反应 SMILES

[Cl:1][C:2]1[C:3](F)=[CH:4][C:5]([F:21])=[C:6]([S:8]([N:11]([CH2:18][O:19][CH3:20])[C:12]2[CH:17]=[CH:16][N:15]=[CH:14][N:13]=2)(=[O:10])=[O:9])[CH:7]=1.[Cl:23][C:24]1[CH:29]=[CH:28][C:27]([OH:30])=[C:26]([C:31]2[C:32]([N+:42]([O-:44])=[O:43])=[N:33][N:34]([CH:36]3[CH2:41][CH2:40][CH2:39][CH2:38][O:37]3)[CH:35]=2)[CH:25]=1>>[Cl:1][C:2]1[C:3]([O:30][C:27]2[CH:28]=[CH:29][C:24]([Cl:23])=[CH:25][C:26]=2[C:31]2[C:32]([N+:42]([O-:44])=[O:43])=[N:33][N:34]([CH:36]3[CH2:41][CH2:40][CH2:39][CH2:38][O:37]3)[CH:35]=2)=[CH:4][C:5]([F:21])=[C:6]([S:8]([N:11]([CH2:18][O:19][CH3:20])[C:12]2[CH:17]=[CH:16][N:15]=[CH:14][N:13]=2)(=[O:10])=[O:9])[CH:7]=1